SCHEMBL21928010

SCHEMBL21928010

N#Cc1cnccc1-c1cccc(-c2ccccc2N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
GABRG2 P18507 6/20 0.34
GABRB3 P28472 6/20 0.34
GABRA1 P14867 5/20 0.34
GABRA2 P47869 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRA3 P34903 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
UCHL1 P09936 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP11B1 P15538 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21927451 0.92 PDE10A (0.36) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL21927340 0.90 CYP19A1 (0.33) CYP19A1GABRG2GABRB3GABRA1GABRA2
SCHEMBL21927754 0.89 UCHL1 (0.37) CYP1A2CYP3A4CYP2C19CYP2E1CYP2C8
SCHEMBL21927325 0.87 UCHL1 (0.34) CYP19A1GABRG2GABRB3GABRA1GABRA5
SCHEMBL21928538 0.85 CYP1A2 (0.34) CYP19A1CYP1A2CYP3A4CYP2C19CYP2E1
SCHEMBL21927727 0.83 GABRG2 (0.37) CYP19A1GABRG2GABRB3GABRA1GABRA2
SCHEMBL21927763 0.82 MEN1 (0.34) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL21928016 0.81 ATR (0.33) CYP1A2CYP3A4ALDH1A1TDP1NCOA3
SCHEMBL21927960 0.80 GABRG2 (0.36) CYP19A1GABRG2GABRB3GABRA1GABRA2
SCHEMBL21927912 0.80 GABRG2 (0.39) CYP19A1GABRG2GABRB3GABRA1GABRA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 CYP19A1 188/4885GABRG2 4172/4885GABRB3 4382/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.